1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine

C14H23NS2 — CID 107269723

IUPAC1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2(SC)CCC2)s1
InChIInChI=1S/C14H23NS2/c1-4-12-6-7-13(17-12)11(2)15-10-14(16-3)8-5-9-14/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyZJIJYPMYFVZVFD-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.25
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine

1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine (PubChem CID 107269723) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
PubChem CID107269723
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2(SC)CCC2)s1
InChIInChI=1S/C14H23NS2/c1-4-12-6-7-13(17-12)11(2)15-10-14(16-3)8-5-9-14/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyZJIJYPMYFVZVFD-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methiopropamine
CID 436156
Methiopropamine (N-methyl-1-(thiophen-2-yl)propan-2-amine)
CID 458582
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
N-Methyl-1-(2-thienyl)ethanamine hydrochloride
CID 458575
Methyl[1-(thiophen-2-yl)ethyl]amine
CID 458576

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine (CID 107269723) is 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine is CCc1ccc(C(C)NCC2(SC)CCC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine?
The InChIKey is ZJIJYPMYFVZVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-4-12-6-7-13(17-12)11(2)15-10-14(16-3)8-5-9-14/h6-7,11,15H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine has a molecular weight of 269.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 107269723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).